CID 99214

P-(benzyloxy)phenyl bis(1-aziridinyl)phosphinate

Structural Information

Molecular Formula
C17H19N2O3P
SMILES
C1CN1P(=O)(N2CC2)OC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C17H19N2O3P/c20-23(18-10-11-18,19-12-13-19)22-17-8-6-16(7-9-17)21-14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKey
SBFANFPJKBWQMT-UHFFFAOYSA-N
Compound name
1-[aziridin-1-yl-(4-phenylmethoxyphenoxy)phosphoryl]aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.11334 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12062 190.1
[M+Na]+ 353.10256 196.1
[M-H]- 329.10606 197.6
[M+NH4]+ 348.14716 190.9
[M+K]+ 369.07650 193.1
[M+H-H2O]+ 313.11060 179.3
[M+HCOO]- 375.11154 212.3
[M+CH3COO]- 389.12719 215.5
[M+Na-2H]- 351.08801 190.1
[M]+ 330.11279 194.9
[M]- 330.11389 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.